2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-4-(trifluoromethyl)oxane

C12H14F10O2 — CID 59010335

IUPAC2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-4-(trifluoromethyl)oxane
SMILESCCOC1(C(F)(C(F)(F)F)C(F)(F)F)CC(C(F)(F)F)CC(C)O1
InChIInChI=1S/C12H14F10O2/c1-3-23-8(10(16,11(17,18)19)12(20,21)22)5-7(9(13,14)15)4-6(2)24-8/h6-7H,3-5H2,1-2H3
InChIKeyCGPFBGUGIVTHFW-UHFFFAOYSA-N
MW380.22 g/mol
LogP4.93
Rot. Bonds3

About 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-4-(trifluoromethyl)oxane

2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-4-(trifluoromethyl)oxane (PubChem CID 59010335) has the molecular formula C12H14F10O2 and a molecular weight of 380.22 g/mol. Its IUPAC name is 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-4-(trifluoromethyl)oxane.

Molecular Properties

Compound Name2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-4-(trifluoromethyl)oxane
PubChem CID59010335
Molecular FormulaC12H14F10O2
Molecular Weight380.22 g/mol
Exact Mass380.08
IUPAC Name2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-4-(trifluoromethyl)oxane
SMILESCCOC1(C(F)(C(F)(F)F)C(F)(F)F)CC(C(F)(F)F)CC(C)O1
InChIInChI=1S/C12H14F10O2/c1-3-23-8(10(16,11(17,18)19)12(20,21)22)5-7(9(13,14)15)4-6(2)24-8/h6-7H,3-5H2,1-2H3
InChIKeyCGPFBGUGIVTHFW-UHFFFAOYSA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-4-(trifluoromethyl)oxane?
The IUPAC name of 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-4-(trifluoromethyl)oxane (CID 59010335) is 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-4-(trifluoromethyl)oxane.
What is the SMILES notation for 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-4-(trifluoromethyl)oxane?
The canonical SMILES for 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-4-(trifluoromethyl)oxane is CCOC1(C(F)(C(F)(F)F)C(F)(F)F)CC(C(F)(F)F)CC(C)O1.
What is the InChIKey of 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-4-(trifluoromethyl)oxane?
The InChIKey is CGPFBGUGIVTHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F10O2/c1-3-23-8(10(16,11(17,18)19)12(20,21)22)5-7(9(13,14)15)4-6(2)24-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-4-(trifluoromethyl)oxane?
2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-4-(trifluoromethyl)oxane has a molecular weight of 380.22 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-4-(trifluoromethyl)oxane is sourced from PubChem (CID 59010335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).